(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane

C12H23N2P — CID 90966068

IUPAC(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane
SMILESC=[N+](C)[N-]C1=CCCC=C1P(C)C.CC
InChIInChI=1S/C10H17N2P.C2H6/c1-12(2)11-9-7-5-6-8-10(9)13(3)4;1-2/h7-8H,1,5-6H2,2-4H3;1-2H3
InChIKeyOYHKLEMQFNWSKE-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.95
Rot. Bonds3

About (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane

(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane (PubChem CID 90966068) has the molecular formula C12H23N2P and a molecular weight of 226.30 g/mol. Its IUPAC name is (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane.

Molecular Properties

Compound Name(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane
PubChem CID90966068
Molecular FormulaC12H23N2P
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane
SMILESC=[N+](C)[N-]C1=CCCC=C1P(C)C.CC
InChIInChI=1S/C10H17N2P.C2H6/c1-12(2)11-9-7-5-6-8-10(9)13(3)4;1-2/h7-8H,1,5-6H2,2-4H3;1-2H3
InChIKeyOYHKLEMQFNWSKE-UHFFFAOYSA-N
XLogP3.95
TPSA17.11 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane
CID 91124842
2,4-Dimethyl-6,7-dihydro-1,2,4-benzodiazaphosphinin-2-ium-1-ide;ethane
CID 91430015
(6-Dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide
CID 90966069
[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide
CID 91124843
2,4-Dimethyl-6,7-dihydro-1,2,4-benzodiazaphosphinin-2-ium-1-ide
CID 91430016

Frequently Asked Questions

What is the IUPAC name of (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane?
The IUPAC name of (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane (CID 90966068) is (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane.
What is the SMILES notation for (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane?
The canonical SMILES for (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane is C=[N+](C)[N-]C1=CCCC=C1P(C)C.CC.
What is the InChIKey of (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane?
The InChIKey is OYHKLEMQFNWSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2P.C2H6/c1-12(2)11-9-7-5-6-8-10(9)13(3)4;1-2/h7-8H,1,5-6H2,2-4H3;1-2H3.
What are the key properties of (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane?
(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane has a molecular weight of 226.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane is sourced from PubChem (CID 90966068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).